Information card for entry 1564203

Structure parameters

• Formula: C24 H44 B2 N4 Ni2 O10
• Calculated formula: C24 H44 B2 N4 Ni2 O10
• SMILES: [Ni]1([O](B2OC(C(O2)(C)C)(C)C)[Ni]([O]1B1OC(C(O1)(C)C)(C)C)(N=O)[n]1ccncc1)(N=O)[n]1cc[n]([Ni]2([O]([Ni]([O]2B2OC(C(O2)(C)C)(C)C)N=O)B2OC(C(O2)(C)C)(C)C)N=O)cc1.O1CCCC1.O1CCCC1.O1CCCC1.O1CCCC1
• Title of publication: Nickel-mediated N‒N bond formation and N2O liberation via nitrogen oxyanion reduction
• Authors of publication: Beagan, Daniel M.; Cabelof, Alyssa C.; Pink, Maren; Carta, Veronica; Gao, Xinfeng; Caulton, Kenneth G.
• Journal of publication: Chemical Science
• Year of publication: 2021
• a: 12.209 ± 0.002 Å
• b: 7.5518 ± 0.0013 Å
• c: 17.864 ± 0.003 Å
• α: 90°
• β: 106.243 ± 0.005°
• γ: 90°
• Cell volume: 1581.3 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0669
• Residual factor for significantly intense reflections: 0.0467
• Weighted residual factors for significantly intense reflections: 0.1018
• Weighted residual factors for all reflections included in the refinement: 0.1108
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No